Research article
Identification of new, well-populated amino-acid sidechain rotamers involving hydroxyl-hydrogen atoms and sulfhydryl-hydrogen atoms
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* Corresponding author: Bosco K Ho apposite@gmail.com
Department of Biochemistry, Howard Hughes Medical Institute, University of California, San Francisco, San Francisco CA 94158-2517
BMC Structural Biology 2008, 8:41 doi:10.1186/1472-6807-8-41
Published: 7 October 2008Additional files
Additional file 1:
Manually-fitted hydrogen atoms in high resolution structures. In these high-resolution X-ray structures, the hydroxyl hydrogen atoms were removed if there is no corresponding electron density but if there is sufficient electron density due to hydrogen-bonding, the hydrogen atom position were fitted manually.
Format: ZIP Size: 2.2MB Download file
Additional file 2:
List of hydroxyl-hydrogen χ rotamers in high-resolution PDB files. List of the residues used to calculate the hydroxyl-hydrogen χ-angle rotamers in Ser, Thr and Tyr. Data-sets provided for both the manually-placed hydrogen atoms in the high-resolution structures, and the Reduce-placed hydrogen atoms in the Richardson data-set.
Format: ZIP Size: 47KB Download file